Information card for entry 2005408

Structure parameters

• Chemical name: rac.-1,10-Dimethyl-1,10-bis-(tert.-butyldimethylsilyloxy)-cyclododeca- 2,8-diyne
• Formula: C26 H48 O2 Si2
• Calculated formula: C26 H48 O2 Si2
• Title of publication: Racemic 3,6-Dimethyl-3,6-bis(<i>tert</i>-butyldimethylsilyloxy)-1,7-cyclododecadiyne
• Authors of publication: Boss, C.; Keese, R.; Förtsch, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2370 - 2372
• a: 17.242 ± 0.004 Å
• b: 15.244 ± 0.003 Å
• c: 11.406 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2997.9 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections: 0.1454
• Weighted residual factors for significantly intense reflections: 0.118
• Goodness-of-fit parameter for all reflections: 1.091
• Goodness-of-fit parameter for significantly intense reflections: 1.206
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No